5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid

C18H17N3O2 — CID 50942339

IUPAC5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NC1CCCC1)c1ccncc12
InChIInChI=1S/C18H17N3O2/c22-18(23)11-5-6-13-15-10-19-8-7-14(15)17(21-16(13)9-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,20,21)(H,22,23)
InChIKeyHZCSCUKAMMCAOR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.84
Rot. Bonds3

About 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942339) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942339
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NC1CCCC1)c1ccncc12
InChIInChI=1S/C18H17N3O2/c22-18(23)11-5-6-13-15-10-19-8-7-14(15)17(21-16(13)9-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,20,21)(H,22,23)
InChIKeyHZCSCUKAMMCAOR-UHFFFAOYSA-N
XLogP3.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942339) is 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(NC1CCCC1)c1ccncc12.
What is the InChIKey of 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is HZCSCUKAMMCAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)11-5-6-13-15-10-19-8-7-14(15)17(21-16(13)9-11)20-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,20,21)(H,22,23).
What are the key properties of 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).